2-(2-ethoxyethoxy)ethyl phenyl carbonate

C13H18O5 — CID 118088520

IUPAC2-(2-ethoxyethoxy)ethyl phenyl carbonate
SMILESCCOCCOCCOC(=O)Oc1ccccc1
InChIInChI=1S/C13H18O5/c1-2-15-8-9-16-10-11-17-13(14)18-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyMUKNLWVSLRDXKK-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.26
Rot. Bonds8

About 2-(2-ethoxyethoxy)ethyl phenyl carbonate

2-(2-ethoxyethoxy)ethyl phenyl carbonate (PubChem CID 118088520) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl phenyl carbonate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl phenyl carbonate
PubChem CID118088520
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2-(2-ethoxyethoxy)ethyl phenyl carbonate
SMILESCCOCCOCCOC(=O)Oc1ccccc1
InChIInChI=1S/C13H18O5/c1-2-15-8-9-16-10-11-17-13(14)18-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyMUKNLWVSLRDXKK-UHFFFAOYSA-N
XLogP2.26
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

diphenyl carbonate;ethoxyethane
CID 67230205
4-(2-propoxyethoxycarbonyloxy)benzoic acid
CID 170391078
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
[2-(2-ethoxyethoxy)-1-phenylethyl] phenyl carbonate
CID 118088751
(4-acetylphenyl) 2-propoxyethyl carbonate
CID 156748623
6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxycarbonyl]-2-ethyl-2,4,6,8-tetramethyl-8-(2-methyl-2-phenoxycarbonylbutyl)-4-phenoxycarbonylnonanedioic acid
CID 118052116
2-ethoxyethyl 2-methylprop-2-enoate;phenyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 175311006
[4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate
CID 17160391
2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate
CID 174222574
2,2-dimethylpropyl ethyl carbonate;2,2-dimethylpropyl phenyl carbonate
CID 159920940
(2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate
CID 118088602
(dimethylamino)methyl phenyl carbonate
CID 59882405

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl phenyl carbonate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl phenyl carbonate (CID 118088520) is 2-(2-ethoxyethoxy)ethyl phenyl carbonate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl phenyl carbonate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl phenyl carbonate is CCOCCOCCOC(=O)Oc1ccccc1.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl phenyl carbonate?
The InChIKey is MUKNLWVSLRDXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-2-15-8-9-16-10-11-17-13(14)18-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl phenyl carbonate?
2-(2-ethoxyethoxy)ethyl phenyl carbonate has a molecular weight of 254.28 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl phenyl carbonate is sourced from PubChem (CID 118088520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).